N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine

C15H19Cl2N3 — CID 62128517

IUPACN-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H19Cl2N3/c1-4-8-18-9-12-13(16)6-5-7-14(12)20-11(3)15(17)10(2)19-20/h5-7,18H,4,8-9H2,1-3H3
InChIKeyYYFYQTZPNONANX-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.30
Rot. Bonds5

About N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine

N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 62128517) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine
PubChem CID62128517
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H19Cl2N3/c1-4-8-18-9-12-13(16)6-5-7-14(12)20-11(3)15(17)10(2)19-20/h5-7,18H,4,8-9H2,1-3H3
InChIKeyYYFYQTZPNONANX-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62131046
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888272
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189101
N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431053
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61271722
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-[[5-bromo-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294110

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine (CID 62128517) is N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1c(Cl)cccc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is YYFYQTZPNONANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-4-8-18-9-12-13(16)6-5-7-14(12)20-11(3)15(17)10(2)19-20/h5-7,18H,4,8-9H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62128517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).